CID 3042847

5-thiazolemethanol, 2-methyl-, phenylcarbamate (ester), monohydrochloride

Structural Information

Molecular Formula
C12H12N2O2S
SMILES
CC1=NC=C(S1)COC(=O)NC2=CC=CC=C2
InChI
InChI=1S/C12H12N2O2S/c1-9-13-7-11(17-9)8-16-12(15)14-10-5-3-2-4-6-10/h2-7H,8H2,1H3,(H,14,15)
InChIKey
HFZWUTJFHVZJDK-UHFFFAOYSA-N
Compound name
(2-methyl-1,3-thiazol-5-yl)methyl N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.06195 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.06923 154.2
[M+Na]+ 271.05117 162.3
[M-H]- 247.05467 160.3
[M+NH4]+ 266.09577 172.3
[M+K]+ 287.02511 158.9
[M+H-H2O]+ 231.05921 146.8
[M+HCOO]- 293.06015 174.4
[M+CH3COO]- 307.07580 191.0
[M+Na-2H]- 269.03662 156.5
[M]+ 248.06140 157.4
[M]- 248.06250 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe